[(2S)-2-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone

C23H29N5O — CID 92622534

IUPAC[(2S)-2-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1nc([C@@H]2CCCCN2C(=O)c2ccccn2)nc2c1CCCN2CC1CC1
InChIInChI=1S/C23H29N5O/c1-16-18-7-6-13-27(15-17-10-11-17)22(18)26-21(25-16)20-9-3-5-14-28(20)23(29)19-8-2-4-12-24-19/h2,4,8,12,17,20H,3,5-7,9-11,13-15H2,1H3/t20-/m0/s1
InChIKeyBVGDLFWYVNKQQF-FQEVSTJZSA-N
MW391.52 g/mol
LogP3.71
Rot. Bonds4

About [(2S)-2-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone

[(2S)-2-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 92622534) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is [(2S)-2-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID92622534
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name[(2S)-2-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1nc([C@@H]2CCCCN2C(=O)c2ccccn2)nc2c1CCCN2CC1CC1
InChIInChI=1S/C23H29N5O/c1-16-18-7-6-13-27(15-17-10-11-17)22(18)26-21(25-16)20-9-3-5-14-28(20)23(29)19-8-2-4-12-24-19/h2,4,8,12,17,20H,3,5-7,9-11,13-15H2,1H3/t20-/m0/s1
InChIKeyBVGDLFWYVNKQQF-FQEVSTJZSA-N
XLogP3.71
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(2S)-2-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone (CID 92622534) is [(2S)-2-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(2S)-2-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(2S)-2-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone is Cc1nc([C@@H]2CCCCN2C(=O)c2ccccn2)nc2c1CCCN2CC1CC1.
What is the InChIKey of [(2S)-2-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is BVGDLFWYVNKQQF-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H29N5O/c1-16-18-7-6-13-27(15-17-10-11-17)22(18)26-21(25-16)20-9-3-5-14-28(20)23(29)19-8-2-4-12-24-19/h2,4,8,12,17,20H,3,5-7,9-11,13-15H2,1H3/t20-/m0/s1.
What are the key properties of [(2S)-2-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
[(2S)-2-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 391.52 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 92622534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).